mp-1205362/NbAgO3/harm

Harmonic properties

../../_images/fig_bandos_pr15402.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19778.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15401.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215005.png

(a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times25473.png

(a) Computation time